Molecule FYI-1007830

A

Molecule Summary:

ID: FYI-1007830
Names:
InChIKey: XCOBJNOAUBEJBK-UHFFFAOYSA-N
SMILES: Fc1ccccc1Nc4nccc(Nc3ccc(N2CCOCC2)cc3Cl)n4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007830 Edit

Molecule Structure InChIKey: XCOBJNOAUBEJBK-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1ccccc1Nc4nccc(Nc3ccc(N2CCOCC2)cc3Cl)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007830
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0623   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007830-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    2.4829   -6.4205    1.1760 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9579   -7.4036    1.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3195   -8.6409    1.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8202   -9.7084    2.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9751   -9.5384    3.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6096   -8.2925    3.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0809   -7.1907    2.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7382   -5.9481    2.8772 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1074   -4.6978    2.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369   -4.5859    3.2902 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -3.3662    3.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641   -2.2427    2.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   -2.4259    2.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0602   -1.2774    2.2306 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712   -1.2266    2.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950   -1.8953    3.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5903   -1.8795    3.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295   -1.1921    2.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7058   -1.2227    2.2847 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5563   -0.1327    1.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4661   -0.6448    0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2370   -1.7824    1.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3649   -2.8551    1.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414   -2.4469    2.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6008   -0.4854    1.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1977   -0.4977    1.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3777    0.3810    0.0379 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8532   -3.6491    2.5067 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4359   -8.7578    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162  -10.6709    2.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3749  -10.3719    3.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4986   -8.1717    4.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5682   -5.8671    2.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527   -3.3195    3.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993   -1.2675    2.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6495   -0.7200    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760   -2.4375    4.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0936   -2.4016    4.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1802    0.2019    2.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9883    0.7406    1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1710    0.1395    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8824   -0.9210   -0.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9918   -3.6983    1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7802   -3.1736    0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0400   -2.2375    3.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7839   -3.2935    2.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1185    0.0506    0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 144👍, 0💬